CID 18426409

(cyclopentyloxy)benzene

Structural Information

Molecular Formula

C₁₁H₁₄O

SMILES

C1CCC(C1)OC2=CC=CC=C2

InChI

InChI=1S/C11H14O/c1-2-6-10(7-3-1)12-11-8-4-5-9-11/h1-3,6-7,11H,4-5,8-9H2

InChIKey

NNKOHFRNPSBBQP-UHFFFAOYSA-N

Compound name

cyclopentyloxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 500
Patents: 162.10446 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	163.111736	134.7
[M+Na]+	185.093678	140.5
[M-H]-	161.097184	140.8
[M+NH4]+	180.138283	156.7
[M+K]+	201.067618	138.5
[M+H-H2O]+	145.101720	128.4
[M+HCOO]-	207.102661	158.3
[M+CH3COO]-	221.118311	175.8
[M+Na-2H]-	183.079126	139.9
[M]+	162.10391142	132.0
[M]-	162.10500858	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe